| Phytochemical Name : Integerrimine |
| PCNDIDI0024 |
| Pubchem CID : 5281733 |
| Molecular formula: C18H25NO5 |
| Canonical SMILES : CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)C |
Synonymes : Integerrimine|Squalidine|Squalidin|480-79-5|(-)-Integerrimine|Inegerrimine|Intergerrimine|NSC 79540|UNII-3179A6U4PN|(15E)-12-Hydroxysenecionan-11,16-dione|3179A6U4PN|Senecionan-11,16-dione, 12-hydroxy-, (15E)-|CHEBI:5935|DTXSID601016480|NSC-79540|(1R,4E,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione|(1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINE-2,7-DIONE, 3-ETHYLIDENE-3,4,5,6,9,11,13,14,14A,14B-DECAHYDRO-6-HYDROXY-5,6-DIMETHYL-, (3E,5R,6R,14AR,14BR)-|Senecionan-11,16-dione, 12-hydroxy-;Aureine;Senecionin|senecionine, (15E)-isomer|CHEMBL488203|DTXCID801474670|SENECIONINE C15-TRANS ISOMER|LS-84089|XI161635|SENECIONINE C15-TRANS ISOMER [MI]|HY-122772|CS-0088878|Q27106934|(5R,6R,9a1R,14aR,E)-3-ethylidene-6-hydroxy-5,6-dimethyl-3,4,5,6,9,9a1,11,13,14,14a-decahydro-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.690 |
| Log Po/w (XLOGP3) : 1.080 |
| Log Po/w (WLOGP) : 0.810 |
| Log Po/w (MLOGP) : 1.430 |
| Log Po/w (SILICOS-IT) : 1.460 |
| Consensus Log Po/w : 1.490 |